N-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine

C18H30N2 — CID 61011128

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine
SMILESCc1ccc(C(C)NCC(C)N2CCCCC2)c(C)c1
InChIInChI=1S/C18H30N2/c1-14-8-9-18(15(2)12-14)17(4)19-13-16(3)20-10-6-5-7-11-20/h8-9,12,16-17,19H,5-7,10-11,13H2,1-4H3
InChIKeyUHYOECSRNPYCGA-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.83
Rot. Bonds5

About N-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine

N-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine (PubChem CID 61011128) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine
PubChem CID61011128
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine
SMILESCc1ccc(C(C)NCC(C)N2CCCCC2)c(C)c1
InChIInChI=1S/C18H30N2/c1-14-8-9-18(15(2)12-14)17(4)19-13-16(3)20-10-6-5-7-11-20/h8-9,12,16-17,19H,5-7,10-11,13H2,1-4H3
InChIKeyUHYOECSRNPYCGA-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]piperidin-1-amine
CID 83007636
N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine
CID 63448800
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
3-(2,4-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83928012
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61240183
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83108539
N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 43185231
1-(2,4-dimethylphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
CID 114114845
1-(2,4-dimethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720774
4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid
CID 62710645
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine (CID 61011128) is N-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine is Cc1ccc(C(C)NCC(C)N2CCCCC2)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine?
The InChIKey is UHYOECSRNPYCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14-8-9-18(15(2)12-14)17(4)19-13-16(3)20-10-6-5-7-11-20/h8-9,12,16-17,19H,5-7,10-11,13H2,1-4H3.
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine?
N-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 61011128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).